2-propoxy-1-(thiadiazol-4-yl)ethanone

C7H10N2O2S — CID 105114952

IUPAC2-propoxy-1-(thiadiazol-4-yl)ethanone
SMILESCCCOCC(=O)c1csnn1
InChIInChI=1S/C7H10N2O2S/c1-2-3-11-4-7(10)6-5-12-9-8-6/h5H,2-4H2,1H3
InChIKeySATFDOOYFSIXNO-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.15
Rot. Bonds5

About 2-propoxy-1-(thiadiazol-4-yl)ethanone

2-propoxy-1-(thiadiazol-4-yl)ethanone (PubChem CID 105114952) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-propoxy-1-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-propoxy-1-(thiadiazol-4-yl)ethanone
PubChem CID105114952
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-propoxy-1-(thiadiazol-4-yl)ethanone
SMILESCCCOCC(=O)c1csnn1
InChIInChI=1S/C7H10N2O2S/c1-2-3-11-4-7(10)6-5-12-9-8-6/h5H,2-4H2,1H3
InChIKeySATFDOOYFSIXNO-UHFFFAOYSA-N
XLogP1.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-(thiadiazol-4-yl)ethanone?
The IUPAC name of 2-propoxy-1-(thiadiazol-4-yl)ethanone (CID 105114952) is 2-propoxy-1-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 2-propoxy-1-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 2-propoxy-1-(thiadiazol-4-yl)ethanone is CCCOCC(=O)c1csnn1.
What is the InChIKey of 2-propoxy-1-(thiadiazol-4-yl)ethanone?
The InChIKey is SATFDOOYFSIXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-11-4-7(10)6-5-12-9-8-6/h5H,2-4H2,1H3.
What are the key properties of 2-propoxy-1-(thiadiazol-4-yl)ethanone?
2-propoxy-1-(thiadiazol-4-yl)ethanone has a molecular weight of 186.24 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 105114952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).